4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-propylbenzamide

C23H29N3O3 — CID 42663448

IUPAC4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC2c3ccccc3C(=O)N2CCCOCC)cc1
InChIInChI=1S/C23H29N3O3/c1-3-14-24-22(27)17-10-12-18(13-11-17)25-21-19-8-5-6-9-20(19)23(28)26(21)15-7-16-29-4-2/h5-6,8-13,21,25H,3-4,7,14-16H2,1-2H3,(H,24,27)
InChIKeyWUZJDMTXXPNATP-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.82
Rot. Bonds10

About 4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-propylbenzamide

4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-propylbenzamide (PubChem CID 42663448) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-propylbenzamide
PubChem CID42663448
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC2c3ccccc3C(=O)N2CCCOCC)cc1
InChIInChI=1S/C23H29N3O3/c1-3-14-24-22(27)17-10-12-18(13-11-17)25-21-19-8-5-6-9-20(19)23(28)26(21)15-7-16-29-4-2/h5-6,8-13,21,25H,3-4,7,14-16H2,1-2H3,(H,24,27)
InChIKeyWUZJDMTXXPNATP-UHFFFAOYSA-N
XLogP3.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(3-methylbutyl)benzamide
CID 42663467
N-cyclopropyl-4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 42663465
4-[[2-(2-methoxyethyl)-3-oxo-1H-isoindol-1-yl]amino]-N-propylbenzamide
CID 42663508
N-butyl-3-[[(1S)-2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 7356595
3-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(3-methylbutyl)benzamide
CID 4650844
N-ethoxy-3-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 5237810
3-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-propan-2-ylbenzamide
CID 4260324
3-[4-(4-benzhydrylpiperazine-1-carbonyl)anilino]-2-(3-ethoxypropyl)-3H-isoindol-1-one
CID 42663449
4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]-N-propan-2-ylbenzamide
CID 42765807
N-ethoxy-4-[[2-(2-methoxyethyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 42765872
N-butan-2-yl-4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]benzamide
CID 42765808
N-hexyl-3-[[(1S)-3-oxo-2-propyl-1H-isoindol-1-yl]amino]benzamide
CID 7230924

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-propylbenzamide?
The IUPAC name of 4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-propylbenzamide (CID 42663448) is 4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-propylbenzamide?
The canonical SMILES for 4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(NC2c3ccccc3C(=O)N2CCCOCC)cc1.
What is the InChIKey of 4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-propylbenzamide?
The InChIKey is WUZJDMTXXPNATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-3-14-24-22(27)17-10-12-18(13-11-17)25-21-19-8-5-6-9-20(19)23(28)26(21)15-7-16-29-4-2/h5-6,8-13,21,25H,3-4,7,14-16H2,1-2H3,(H,24,27).
What are the key properties of 4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-propylbenzamide?
4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-propylbenzamide has a molecular weight of 395.50 g/mol, XLogP of 3.82, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-propylbenzamide is sourced from PubChem (CID 42663448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).